2-(3-oxo-1,2,3,4-tetrahydroquinoxalin-2-yl)-N-(2-(trifluoromethyl)phenyl)acetamide

Base Information

• Chemical Name: 2-(3-oxo-1,2,3,4-tetrahydroquinoxalin-2-yl)-N-(2-(trifluoromethyl)phenyl)acetamide
• CAS No.: 5660-61-7
• Molecular Formula: C17H14F3N3O2
• Molecular Weight: 130.187
• DSSTox Substance ID: DTXSID20386318

Synonyms:5660-61-7;2-(3-oxo-1,2,3,4-tetrahydroquinoxalin-2-yl)-N-(2-(trifluoromethyl)phenyl)acetamide;F0158-0023;317814-57-6;2-(3-oxo-1,2,3,4-tetrahydroquinoxalin-2-yl)-N-[2-(trifluoromethyl)phenyl]acetamide;CBMicro_027481;DTXSID20386318;HMS1683G15;STK991875;AKOS000569272;AKOS016317561;NCGC00275754-01;BIM-0027228.P001;AB01279502-01;SR-01000499950;SR-01000499950-1;Z31269337;2-(3-oxo-1,2,3,4-tetrahydro-2-quinoxalinyl)-N-[2-(trifluoromethyl)phenyl]acetamide;2-(3-Oxo-1,2,3,4-tetrahydro-quinoxalin-2-yl)-N-(2-trifluoromethyl-phenyl)-acetam

Chemical Property of 2-(3-oxo-1,2,3,4-tetrahydroquinoxalin-2-yl)-N-(2-(trifluoromethyl)phenyl)acetamide

Chemical Property:

• Vapor Pressure: 5.66E-14mmHg at 25°C
• Boiling Point: 591.7°Cat760mmHg
• Flash Point: 311.6°C
• Density: 1.359g/cm³
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 349.10381118
• Heavy Atom Count: 25
• Complexity: 512

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)C(F)(F)F)NC(=O)CC2C(=O)NC3=CC=CC=C3N2

Technology Process of 2-(3-oxo-1,2,3,4-tetrahydroquinoxalin-2-yl)-N-(2-(trifluoromethyl)phenyl)acetamide

There total 6 articles about 2-(3-oxo-1,2,3,4-tetrahydroquinoxalin-2-yl)-N-(2-(trifluoromethyl)phenyl)acetamide which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 100.0%

2.3-butanediol (513-85-9) → 2,2,4,5-tetramethyl-[1,3]dioxolane (5660-61-7,17226-66-3)

Guidance literature:

With methanesulfonic acid; oxygen; [(n-Bu)4N]3H₂[IMo₆O₂₄]; In acetonitrile; at 80 ℃; for 4h; under 1520.1 Torr;

DOI:10.1002/1615-4169(200210)344:9<1017::AID-ADSC1017>3.0.CO;2-X

Reference yield: 99.0%

acetone (67-64-1) + 2,3-cis-epoxybutane (925669-95-0) → (R,R) and (S,S)-2,2,4,5-tetramethyl-1,3-dioxolane (5660-61-7,17226-66-3)

Guidance literature:

erbium(III) triflate; at 20 ℃; for 0.5h;

DOI:10.1002/adsc.200505096

Reference yield: 38.0%

acetone (67-64-1) + 2.3-butanediol (513-85-9) → 2,2,4,5-tetramethyl-[1,3]dioxolane (5660-61-7,17226-66-3)

Guidance literature:

With 4 A molecular sieve; Amberlyst A 15; In tetrahydrofuran; for 24h; Ambient temperature;

upstream raw materials:

acetone

2.3-butanediol

(R,S)-2,2,4,5-tetramethyl-1,3-dioxolane

2,3-cis-epoxybutane

Downstream raw materials:

2-acetoxy-3-bromobutane

acetone

(R,S)-2,2,4,5-tetramethyl-1,3-dioxolane

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